COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286946
Chemical Name: 3-[(2E)-2-(3,4-dimethoxybenzylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanenitrile
Smiles: N#CCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(c(c1)OC)OC

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Molecular Weight: 398.44
Empirical Formula: C19H18N4O4S

Physical State: Dry powder
Available Amount: 620 mg

Lipinsky:
logP: 2.229
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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